CID 1235170

6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C18H11BrN2O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=C(C=CC(=C3)Br)O)C#N
InChI
InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
InChIKey
SVSYJTYGPLVUOZ-UHFFFAOYSA-N
Compound name
6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

35
Patents

366.0004 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00768 178.8
[M+Na]+ 388.98962 192.8
[M-H]- 364.99312 184.3
[M+NH4]+ 384.03422 190.7
[M+K]+ 404.96356 177.1
[M+H-H2O]+ 348.99766 169.8
[M+HCOO]- 410.99860 195.3
[M+CH3COO]- 425.01425 189.2
[M+Na-2H]- 386.97507 182.1
[M]+ 365.99985 188.9
[M]- 366.00095 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe